Download citation
Download citation
link to html
The title compound [systematic name: (5α,7α,13α,17α)-7-(acet­yloxy)-21,23-ep­oxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraen-3-one], C28H36O4, was isolated from uncrushed green leaves of Azadirachta indica A. Juss (neem) and has been reported to possess anti­feedant activity against Spodoptera litura similar to nimonol extracted from neem leaves. Conformational differences from nimonol are seen in the orientation of the functional groups such as the acet­oxy and furan rings. Weak inter­molecular C—H...O hydrogen bonds help stabilize the crystal structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048410/lh2208sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048410/lh2208Isup2.hkl
Contains datablock I

CCDC reference: 630047

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.043
  • wR factor = 0.127
  • Data-to-parameter ratio = 8.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C26 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT480_ALERT_4_C Long H...A H-Bond Reported H11A .. O3 .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H27A .. O21 .. 2.76 Ang.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 72.13 From the CIF: _reflns_number_total 2387 Count of symmetry unique reflns 2394 Completeness (_total/calc) 99.71% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT791_ALERT_1_G Confirm the Absolute Configuration of C5 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C7 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C8 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C9 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C10 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C13 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C17 = . R
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 10 ALERT level G = General alerts; check 9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997) and PARST97 (Nardelli, 1995)'.

(5α,7α,13α,17α)-7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24- norchola-1,14,20,22-tetraen-3-one top
Crystal data top
C28H36O4Dx = 1.193 Mg m3
Mr = 436.57Cu Kα radiation, λ = 1.54178 Å
Trigonal, P31Cell parameters from 23 reflections
Hall symbol: P 31θ = 15–30°
a = 10.818 (3) ŵ = 0.62 mm1
c = 17.984 (5) ÅT = 293 K
V = 1822.7 (10) Å3Rod, colourless
Z = 30.39 × 0.28 × 0.15 mm
F(000) = 708
Data collection top
Enraf–Nonius CAD-4
diffractometer
1996 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.080
Graphite monochromatorθmax = 72.1°, θmin = 4.7°
non–profiled ω/2θ scansh = 1311
Absorption correction: ψ scan
(North et al., 1968)
k = 013
Tmin = 0.852, Tmax = 0.909l = 2222
7386 measured reflections3 standard reflections every 200 reflections
2387 independent reflections intensity decay: 2%
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.127H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0689P)2 + 0.0034P]
where P = (Fo2 + 2Fc2)/3
2387 reflections(Δ/σ)max = 0.001
290 parametersΔρmax = 0.15 e Å3
1 restraintΔρmin = 0.14 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O30.2355 (3)0.3346 (3)0.08371 (15)0.0917 (8)
O70.2563 (2)0.1286 (2)0.28301 (11)0.0614 (5)
O210.2044 (4)0.0794 (4)0.72069 (15)0.1049 (10)
O310.2492 (4)0.3010 (4)0.2186 (2)0.1126 (11)
C10.3759 (4)0.2205 (4)0.26525 (17)0.0709 (8)
H10.38020.26280.30940.085*
C20.3027 (4)0.3070 (4)0.20751 (19)0.0743 (8)
H20.25660.40530.21440.089*
C30.2935 (4)0.2515 (4)0.13518 (17)0.0719 (8)
C40.3594 (4)0.0910 (4)0.12435 (15)0.0698 (8)
C50.3772 (4)0.0184 (3)0.20120 (14)0.0604 (7)
H50.27910.05710.21920.072*
C60.4362 (4)0.1422 (3)0.19916 (15)0.0629 (7)
H6A0.53800.19030.18940.076*
H6B0.39120.16520.15900.076*
C70.4097 (3)0.1959 (3)0.27242 (14)0.0574 (6)
H70.45120.29970.27000.069*
C80.4730 (3)0.1573 (3)0.33952 (15)0.0585 (6)
C90.4238 (3)0.0046 (3)0.33746 (15)0.0578 (6)
H90.31980.05370.34300.069*
C100.4502 (4)0.0611 (4)0.26213 (15)0.0621 (7)
C110.4781 (5)0.0471 (4)0.40700 (17)0.0738 (9)
H11A0.43980.14950.40620.089*
H11B0.58120.00190.40420.089*
C120.4396 (5)0.0080 (5)0.47832 (18)0.0869 (12)
H12A0.52620.04320.50760.104*
H12B0.37710.09560.50480.104*
C130.3677 (3)0.0816 (3)0.47635 (14)0.0544 (6)
C140.4235 (4)0.1894 (3)0.41314 (16)0.0636 (7)
C150.4334 (6)0.3111 (4)0.4342 (2)0.0945 (13)
H150.46250.38950.40310.113*
C160.3921 (6)0.3082 (4)0.5145 (2)0.0962 (14)
H16A0.29500.28960.51930.115*
H16B0.45640.39690.53970.115*
C170.4072 (4)0.1844 (4)0.54418 (16)0.0662 (7)
H170.50910.22240.55360.079*
C180.2062 (4)0.0101 (4)0.47005 (19)0.0787 (9)
H18A0.17080.07860.50970.118*
H18B0.18200.05910.42320.118*
H18C0.16410.04950.47330.118*
C190.6100 (4)0.0104 (5)0.2491 (2)0.0798 (9)
H19A0.65300.01420.29510.120*
H19B0.65750.08590.23090.120*
H19C0.61870.07140.21320.120*
C200.3316 (4)0.1202 (4)0.61604 (16)0.0666 (7)
C210.2557 (5)0.1608 (5)0.6574 (2)0.0890 (11)
H210.23950.23490.64490.107*
C220.3309 (5)0.0067 (4)0.65755 (19)0.0811 (10)
H220.37600.04420.64450.097*
C230.2530 (6)0.0120 (5)0.7186 (2)0.0945 (13)
H230.23520.08010.75500.113*
C280.2589 (5)0.0637 (5)0.0760 (2)0.0899 (11)
H28A0.29930.03710.06870.135*
H28B0.16810.10150.10030.135*
H28C0.24640.10970.02870.135*
C290.5002 (5)0.0388 (5)0.0805 (2)0.0889 (11)
H29A0.54480.06230.07250.133*
H29B0.47980.08690.03340.133*
H29C0.56340.05950.10840.133*
C300.6367 (4)0.2576 (4)0.3367 (2)0.0765 (9)
H30A0.67340.24170.29130.115*
H30B0.68000.23830.37830.115*
H30C0.65830.35510.33870.115*
C260.1879 (4)0.1905 (4)0.25158 (17)0.0678 (7)
C270.0320 (4)0.1039 (5)0.2602 (2)0.0825 (10)
H27A0.00890.02080.28950.124*
H27B0.01170.07510.21220.124*
H27C0.00270.15940.28480.124*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O30.0970 (19)0.1007 (19)0.0769 (15)0.0489 (16)0.0032 (13)0.0209 (14)
O70.0614 (12)0.0638 (12)0.0619 (10)0.0335 (10)0.0015 (8)0.0059 (9)
O210.131 (3)0.127 (3)0.0648 (14)0.071 (2)0.0189 (14)0.0005 (14)
O310.093 (2)0.116 (2)0.143 (3)0.0629 (19)0.0174 (18)0.062 (2)
C10.096 (2)0.078 (2)0.0585 (15)0.059 (2)0.0093 (15)0.0031 (14)
C20.084 (2)0.077 (2)0.0698 (18)0.0460 (19)0.0099 (16)0.0026 (15)
C30.0707 (19)0.088 (2)0.0654 (16)0.0456 (18)0.0081 (14)0.0096 (15)
C40.077 (2)0.087 (2)0.0514 (14)0.0460 (18)0.0103 (13)0.0032 (13)
C50.0681 (17)0.0740 (19)0.0484 (13)0.0426 (16)0.0078 (11)0.0057 (11)
C60.0656 (17)0.0738 (19)0.0542 (14)0.0384 (15)0.0080 (12)0.0151 (12)
C70.0582 (15)0.0569 (16)0.0576 (14)0.0292 (13)0.0037 (11)0.0107 (11)
C80.0614 (16)0.0579 (15)0.0572 (14)0.0307 (13)0.0001 (11)0.0071 (11)
C90.0691 (17)0.0639 (16)0.0506 (13)0.0408 (14)0.0033 (11)0.0057 (11)
C100.0691 (18)0.0757 (18)0.0544 (13)0.0458 (16)0.0057 (12)0.0054 (12)
C110.104 (3)0.085 (2)0.0587 (16)0.066 (2)0.0040 (15)0.0049 (15)
C120.126 (3)0.117 (3)0.0620 (17)0.094 (3)0.0037 (18)0.0130 (17)
C130.0583 (15)0.0526 (14)0.0528 (13)0.0280 (12)0.0041 (11)0.0005 (10)
C140.0760 (19)0.0608 (17)0.0567 (14)0.0363 (16)0.0015 (13)0.0044 (12)
C150.154 (4)0.065 (2)0.0712 (19)0.060 (3)0.019 (2)0.0109 (16)
C160.154 (4)0.063 (2)0.0701 (19)0.053 (3)0.009 (2)0.0039 (15)
C170.0682 (18)0.0650 (18)0.0589 (15)0.0284 (15)0.0061 (12)0.0073 (12)
C180.0605 (18)0.087 (2)0.0677 (17)0.0210 (17)0.0013 (14)0.0166 (15)
C190.075 (2)0.103 (3)0.076 (2)0.055 (2)0.0063 (16)0.0012 (17)
C200.0689 (18)0.0732 (19)0.0520 (13)0.0314 (15)0.0093 (12)0.0096 (13)
C210.115 (3)0.096 (3)0.068 (2)0.063 (3)0.0002 (18)0.0086 (17)
C220.095 (3)0.092 (3)0.0616 (17)0.051 (2)0.0005 (15)0.0046 (16)
C230.118 (3)0.102 (3)0.0589 (17)0.053 (3)0.0040 (19)0.0060 (17)
C280.114 (3)0.113 (3)0.0594 (17)0.069 (3)0.0114 (18)0.0040 (18)
C290.093 (3)0.110 (3)0.0641 (18)0.051 (2)0.0253 (17)0.0080 (18)
C300.0626 (19)0.080 (2)0.082 (2)0.0325 (17)0.0036 (15)0.0039 (16)
C260.0720 (19)0.078 (2)0.0634 (16)0.0447 (17)0.0037 (14)0.0005 (14)
C270.070 (2)0.090 (3)0.090 (2)0.0419 (19)0.0140 (17)0.0177 (19)
Geometric parameters (Å, º) top
O3—C31.223 (4)C13—C141.521 (4)
O7—C261.345 (4)C13—C181.521 (4)
O7—C71.454 (3)C13—C171.560 (4)
O21—C231.333 (6)C14—C151.323 (5)
O21—C211.375 (5)C15—C161.507 (5)
O31—C261.195 (4)C15—H150.9300
C1—C21.357 (5)C16—C171.524 (5)
C1—C101.495 (5)C16—H16A0.9700
C1—H10.9300C16—H16B0.9700
C2—C31.457 (5)C17—C201.501 (4)
C2—H20.9300C17—H170.9800
C3—C41.524 (5)C18—H18A0.9600
C4—C281.531 (5)C18—H18B0.9600
C4—C291.550 (5)C18—H18C0.9600
C4—C51.553 (4)C19—H19A0.9600
C5—C61.523 (5)C19—H19B0.9600
C5—C101.551 (4)C19—H19C0.9600
C5—H50.9800C20—C211.334 (5)
C6—C71.523 (4)C20—C221.434 (5)
C6—H6A0.9700C21—H210.9300
C6—H6B0.9700C22—C231.337 (6)
C7—C81.544 (4)C22—H220.9300
C7—H70.9800C23—H230.9300
C8—C141.531 (4)C28—H28A0.9600
C8—C301.548 (5)C28—H28B0.9600
C8—C91.556 (4)C28—H28C0.9600
C9—C111.546 (4)C29—H29A0.9600
C9—C101.570 (4)C29—H29B0.9600
C9—H90.9800C29—H29C0.9600
C10—C191.548 (5)C30—H30A0.9600
C11—C121.474 (5)C30—H30B0.9600
C11—H11A0.9700C30—H30C0.9600
C11—H11B0.9700C26—C271.472 (5)
C12—C131.517 (4)C27—H27A0.9600
C12—H12A0.9700C27—H27B0.9600
C12—H12B0.9700C27—H27C0.9600
C26—O7—C7118.1 (2)C18—C13—C17109.8 (2)
C23—O21—C21105.6 (3)C15—C14—C13110.6 (3)
C2—C1—C10124.0 (3)C15—C14—C8127.6 (3)
C2—C1—H1118.0C13—C14—C8121.5 (3)
C10—C1—H1118.0C14—C15—C16112.3 (3)
C1—C2—C3122.4 (3)C14—C15—H15123.9
C1—C2—H2118.8C16—C15—H15123.9
C3—C2—H2118.8C15—C16—C17101.1 (3)
O3—C3—C2119.2 (4)C15—C16—H16A111.6
O3—C3—C4121.1 (3)C17—C16—H16A111.6
C2—C3—C4119.6 (3)C15—C16—H16B111.6
C3—C4—C28108.6 (3)C17—C16—H16B111.6
C3—C4—C29107.1 (3)H16A—C16—H16B109.4
C28—C4—C29107.7 (3)C20—C17—C16115.8 (3)
C3—C4—C5109.4 (2)C20—C17—C13116.9 (3)
C28—C4—C5109.2 (3)C16—C17—C13104.0 (3)
C29—C4—C5114.7 (3)C20—C17—H17106.5
C6—C5—C10111.8 (3)C16—C17—H17106.5
C6—C5—C4115.5 (2)C13—C17—H17106.5
C10—C5—C4115.5 (2)C13—C18—H18A109.5
C6—C5—H5104.1C13—C18—H18B109.5
C10—C5—H5104.1H18A—C18—H18B109.5
C4—C5—H5104.1C13—C18—H18C109.5
C7—C6—C5111.2 (2)H18A—C18—H18C109.5
C7—C6—H6A109.4H18B—C18—H18C109.5
C5—C6—H6A109.4C10—C19—H19A109.5
C7—C6—H6B109.4C10—C19—H19B109.5
C5—C6—H6B109.4H19A—C19—H19B109.5
H6A—C6—H6B108.0C10—C19—H19C109.5
O7—C7—C6107.9 (2)H19A—C19—H19C109.5
O7—C7—C8108.2 (2)H19B—C19—H19C109.5
C6—C7—C8112.3 (2)C21—C20—C22104.5 (3)
O7—C7—H7109.5C21—C20—C17127.6 (3)
C6—C7—H7109.5C22—C20—C17127.8 (3)
C8—C7—H7109.5C20—C21—O21111.6 (4)
C14—C8—C7111.2 (2)C20—C21—H21124.2
C14—C8—C30106.1 (3)O21—C21—H21124.2
C7—C8—C30106.9 (2)C23—C22—C20106.9 (4)
C14—C8—C9108.3 (2)C23—C22—H22126.5
C7—C8—C9109.7 (2)C20—C22—H22126.5
C30—C8—C9114.6 (3)O21—C23—C22111.3 (4)
C11—C9—C8110.4 (3)O21—C23—H23124.4
C11—C9—C10114.4 (2)C22—C23—H23124.4
C8—C9—C10115.6 (2)C4—C28—H28A109.5
C11—C9—H9105.1C4—C28—H28B109.5
C8—C9—H9105.1H28A—C28—H28B109.5
C10—C9—H9105.1C4—C28—H28C109.5
C1—C10—C5108.1 (3)H28A—C28—H28C109.5
C1—C10—C19106.0 (3)H28B—C28—H28C109.5
C5—C10—C19115.6 (3)C4—C29—H29A109.5
C1—C10—C9108.6 (2)C4—C29—H29B109.5
C5—C10—C9106.0 (2)H29A—C29—H29B109.5
C19—C10—C9112.4 (3)C4—C29—H29C109.5
C12—C11—C9114.5 (3)H29A—C29—H29C109.5
C12—C11—H11A108.6H29B—C29—H29C109.5
C9—C11—H11A108.6C8—C30—H30A109.5
C12—C11—H11B108.6C8—C30—H30B109.5
C9—C11—H11B108.6H30A—C30—H30B109.5
H11A—C11—H11B107.6C8—C30—H30C109.5
C11—C12—C13118.1 (2)H30A—C30—H30C109.5
C11—C12—H12A107.8H30B—C30—H30C109.5
C13—C12—H12A107.8O31—C26—O7122.6 (3)
C11—C12—H12B107.8O31—C26—C27125.1 (3)
C13—C12—H12B107.8O7—C26—C27112.3 (3)
H12A—C12—H12B107.1C26—C27—H27A109.5
C12—C13—C14111.9 (3)C26—C27—H27B109.5
C12—C13—C18112.0 (3)H27A—C27—H27B109.5
C14—C13—C18109.3 (2)C26—C27—H27C109.5
C12—C13—C17113.1 (2)H27A—C27—H27C109.5
C14—C13—C17100.1 (2)H27B—C27—H27C109.5
C10—C1—C2—C32.1 (5)C8—C9—C10—C554.8 (3)
C1—C2—C3—O3174.2 (3)C11—C9—C10—C1957.5 (4)
C1—C2—C3—C44.2 (5)C8—C9—C10—C1972.4 (3)
O3—C3—C4—C2841.7 (4)C8—C9—C11—C1253.9 (4)
C2—C3—C4—C28139.9 (3)C10—C9—C11—C12173.6 (3)
O3—C3—C4—C2974.4 (4)C9—C11—C12—C136.5 (6)
C2—C3—C4—C29104.1 (3)C11—C12—C13—C1435.3 (5)
O3—C3—C4—C5160.8 (3)C11—C12—C13—C1887.8 (5)
C2—C3—C4—C520.8 (4)C11—C12—C13—C17147.5 (4)
C3—C4—C5—C6177.5 (3)C12—C13—C14—C15142.2 (4)
C28—C4—C5—C658.8 (4)C18—C13—C14—C1593.2 (4)
C29—C4—C5—C662.2 (4)C17—C13—C14—C1522.1 (4)
C3—C4—C5—C1049.3 (4)C12—C13—C14—C832.3 (4)
C28—C4—C5—C10168.0 (3)C18—C13—C14—C892.3 (3)
C29—C4—C5—C1071.0 (4)C17—C13—C14—C8152.4 (3)
C10—C5—C6—C761.6 (3)C7—C8—C14—C1553.5 (5)
C4—C5—C6—C7163.5 (3)C30—C8—C14—C1562.5 (5)
C26—O7—C7—C685.6 (3)C9—C8—C14—C15174.1 (4)
C26—O7—C7—C8152.6 (3)C7—C8—C14—C13133.0 (3)
C5—C6—C7—O762.6 (3)C30—C8—C14—C13111.0 (3)
C5—C6—C7—C856.6 (3)C9—C8—C14—C1312.4 (4)
O7—C7—C8—C1451.3 (3)C13—C14—C15—C162.2 (6)
C6—C7—C8—C14170.3 (3)C8—C14—C15—C16171.9 (4)
O7—C7—C8—C30166.7 (3)C14—C15—C16—C1719.4 (6)
C6—C7—C8—C3074.3 (3)C15—C16—C17—C20161.5 (4)
O7—C7—C8—C968.5 (3)C15—C16—C17—C1331.9 (4)
C6—C7—C8—C950.5 (3)C12—C13—C17—C2078.9 (4)
C14—C8—C9—C1154.7 (3)C14—C13—C17—C20161.9 (3)
C7—C8—C9—C11176.3 (3)C18—C13—C17—C2047.0 (4)
C30—C8—C9—C1163.4 (3)C12—C13—C17—C16152.2 (3)
C14—C8—C9—C10173.5 (3)C14—C13—C17—C1632.9 (3)
C7—C8—C9—C1051.9 (3)C18—C13—C17—C1682.0 (4)
C30—C8—C9—C1068.4 (3)C16—C17—C20—C211.4 (5)
C2—C1—C10—C524.6 (4)C13—C17—C20—C21124.5 (4)
C2—C1—C10—C19100.0 (4)C16—C17—C20—C22177.9 (4)
C2—C1—C10—C9139.0 (3)C13—C17—C20—C2259.0 (5)
C6—C5—C10—C1174.4 (2)C22—C20—C21—O211.5 (5)
C4—C5—C10—C150.8 (3)C17—C20—C21—O21178.6 (3)
C6—C5—C10—C1967.1 (3)C23—O21—C21—C201.3 (5)
C4—C5—C10—C1967.8 (4)C21—C20—C22—C231.2 (5)
C6—C5—C10—C958.1 (3)C17—C20—C22—C23178.3 (4)
C4—C5—C10—C9167.0 (3)C21—O21—C23—C220.4 (5)
C11—C9—C10—C159.4 (4)C20—C22—C23—O210.4 (5)
C8—C9—C10—C1170.7 (3)C7—O7—C26—O313.6 (5)
C11—C9—C10—C5175.3 (3)C7—O7—C26—C27174.2 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1···O3i0.932.523.431 (4)166
C11—H11A···O3i0.972.663.628 (5)175
C27—H27A···O21ii0.962.763.684 (6)162
Symmetry codes: (i) y, xy1, z+1/3; (ii) x+y, x, z1/3.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds